Analytical Evaluation of Multicenter Integrals of r12−1 with Slater-Type Atomic Orbitals. II. (2–2)-Type Three-Center Integrals
- 1 May 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 48 (9) , 4106-4108
- https://doi.org/10.1063/1.1669745
Abstract
The general three-center one-electron nuclear-attraction integral with integer-n Slater-type orbitals is evaluated analytically by letting the orbital exponent of a 1s orbital in the analytical formula for two-electron three-center electron-repulsion integrals tend to infinity. The result is an infinite sum in which the internuclear angles appear in spherical harmonics, and the internuclear distances appear in modified spherical Bessel functions and exponential-type integrals.Keywords
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